1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine

C11H23NO2S — CID 155455556

IUPAC1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine
SMILESCCC(C)(C)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-5-11(2,3)12-8-6-10(7-9-12)15(4,13)14/h10H,5-9H2,1-4H3
InChIKeyGEWNGKBZPNZNOJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.68
Rot. Bonds3

About 1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine

1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine (PubChem CID 155455556) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine
PubChem CID155455556
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine
SMILESCCC(C)(C)N1CCC(S(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO2S/c1-5-11(2,3)12-8-6-10(7-9-12)15(4,13)14/h10H,5-9H2,1-4H3
InChIKeyGEWNGKBZPNZNOJ-UHFFFAOYSA-N
XLogP1.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine?
The IUPAC name of 1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine (CID 155455556) is 1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine is CCC(C)(C)N1CCC(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine?
The InChIKey is GEWNGKBZPNZNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-11(2,3)12-8-6-10(7-9-12)15(4,13)14/h10H,5-9H2,1-4H3.
What are the key properties of 1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine?
1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine has a molecular weight of 233.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-4-methylsulfonylpiperidine is sourced from PubChem (CID 155455556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).